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Hydrochloric Acid → N-(4-(6-Cyano-7-((1-methylpiperidin-3-yl)methoxy)-4-quinolyl)oxy-2-fluorophenyl)-N'-(4-fluorophenyl)urea

HRID 1573327
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HRID 1573327 반응식
[C:2](#[N:3])[c:4]1[cH:5][c:6]2[c:7]([O:15][c:16]3[cH:17][c:18]([F:33])[c:19]([NH:22][C:23](=[O:24])[NH:25][c:26]4[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]4)[cH:20][cH:21]3)[cH:8][cH:9][n:10][c:11]2[cH:12][c:13]1[OH:14].[C:34](=[O:35])([O-:36])[O-:37].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[Cl:41][CH2:42][CH:43]1[CH2:44][N:45]([CH3:49])[CH2:46][CH2:47][CH2:48]1.[ClH:40].[K+:38].[K+:39].[Na:1].[OH2:50]>>[C:2](#[N:3])[c:4]1[cH:5][c:6]2[c:7]([O:15][c:16]3[cH:17][c:18]([F:33])[c:19]([NH:22][C:23](=[O:24])[NH:25][c:26]4[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]4)[cH:20][cH:21]3)[cH:8][cH:9][n:10][c:11]2[cH:12][c:13]1[O:14][CH2:42][CH:43]1[CH2:44][N:45]([CH3:49])[CH2:46][CH2:47][CH2:48]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 813Potassium Cation2회HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 1036743-(Chloromethyl)-1-methylpiperidineHCID 5360545Sodium
HCID 135829378
1-[4-(6-Cyano-7-hydroxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(4-fluorophenyl)urea

생성물 1

HCID 22936564N-(4-(6-Cyano-7-((1-methylpiperidin-3-yl)methoxy)-4-quinolyl)oxy-2-fluorophenyl)-N'-(4-fluorophenyl)urea

출처 및 근거

ORD 기록
ord-17e8ab8543f143c29cc3e211b8772dec
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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